SCHEMBL549815

SCHEMBL549815

CC(C)(C)c1cc(O)c(O)c(C23CC4CC(CC(C4)C2)C3)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX15 P16050 4/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ATP2A2 P16615 1/20 0.39
ATP2A3 Q93084 1/20 0.39
CA2 P00918 3/20 0.33
CA1 P00915 1/20 0.33
HPN P05981 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
NPC1 O15118 1/20 0.33
TYR P14679 2/20 0.32
LMNA P02545 3/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL548780 0.89 CA2 (0.38) POLBMEN1GAAGFERKMT2A
SCHEMBL27480262 0.88 POLB (0.41) POLBMEN1GAAGFERKMT2A
SCHEMBL549623 0.86 MEN1 (0.36) POLBMEN1GAAGFERKMT2A
SCHEMBL27449604 0.81 MEN1 (0.44) POLBMEN1GAAGFERKMT2A
SCHEMBL549882 0.79 CYP2C19 (0.40) POLBMEN1GAAGFERKMT2A
SCHEMBL549883 0.79 CA2 (0.36) POLBMEN1GAAGFERKMT2A
SCHEMBL549584 0.79 MEN1 (0.36) POLBMEN1GAAGFERKMT2A
SCHEMBL549511 0.79 MEN1 (0.47) POLBMEN1GAAGFERKMT2A
SCHEMBL548555 0.79 MEN1 (0.45) POLBMEN1GAAGFERKMT2A
SCHEMBL29198854 0.79 HSD11B1 (0.36) POLBMEN1GAAGFERKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110614-B2 Adamantane derivative, method for producing the same, and resin composition containing adamantane derivative IDEMITSU KOSAN CO., LTD. (JP) 2012-02-07 US disclosed
US-20100056663-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2010-03-04 US disclosed
EP-2090563-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 2009-08-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100056663-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE ARCN1, RTN3, CHRNA3 POLB 3648/4885MEN1 3412/4885GAA 2496/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.